UCSF

ZINC19976872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 14 Yes

Other Names:

MFCD08691122

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.56 1.41 -34.57 3 4 1 46 198.29 3
Hi High (pH 8-9.5) -0.56 0.68 -45.33 3 4 1 49 198.29 3
Hi High (pH 8-9.5) -0.56 -0.83 -7.42 2 4 0 44 197.282 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )